N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide

C22H29N5O4 — CID 118913487

IUPACN-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)c(C(=O)NCCN2CCN(C)CC2)cc1OC
InChIInChI=1S/C22H29N5O4/c1-26-9-11-27(12-10-26)8-7-24-22(29)17-13-19(30-2)20(31-3)14-18(17)25-21(28)16-5-4-6-23-15-16/h4-6,13-15H,7-12H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyNRHILYSRSNASFB-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.33
Rot. Bonds8

About N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide

N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 118913487) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID118913487
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC NameN-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)c(C(=O)NCCN2CCN(C)CC2)cc1OC
InChIInChI=1S/C22H29N5O4/c1-26-9-11-27(12-10-26)8-7-24-22(29)17-13-19(30-2)20(31-3)14-18(17)25-21(28)16-5-4-6-23-15-16/h4-6,13-15H,7-12H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyNRHILYSRSNASFB-UHFFFAOYSA-N
XLogP1.33
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4,5-dimethoxy-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]pyridine-3-carboxamide
CID 153155678
N-[2-bromo-4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 67668609
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 6625714
N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide
CID 119498635
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
tert-butyl N-methyl-N-[2-[[4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]benzoyl]amino]-4-pyridin-3-ylphenyl]carbamate
CID 163983538

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide (CID 118913487) is N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2)c(C(=O)NCCN2CCN(C)CC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is NRHILYSRSNASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-26-9-11-27(12-10-26)8-7-24-22(29)17-13-19(30-2)20(31-3)14-18(17)25-21(28)16-5-4-6-23-15-16/h4-6,13-15H,7-12H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118913487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).